Zinc in PDB 1keq: Crystal Structure of F65A/Y131C Carbonic Anhydrase V, Covalently Modified with 4-Chloromethylimidazole

All present enzymatic activity of Crystal Structure of F65A/Y131C Carbonic Anhydrase V, Covalently Modified with 4-Chloromethylimidazole:
4.2.1.1;

The structure of Crystal Structure of F65A/Y131C Carbonic Anhydrase V, Covalently Modified with 4-Chloromethylimidazole, PDB code: 1keq was solved by K.M.Jude, S.K.Wright, C.Tu, D.N.Silverman, R.E.Viola, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.56 / 1.88
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	99.299, 66.703, 92.563, 90.00, 105.70, 90.00
R / Rfree (%)	18.5 / 21.7

The structure of Crystal Structure of F65A/Y131C Carbonic Anhydrase V, Covalently Modified with 4-Chloromethylimidazole also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Zinc atom in the Crystal Structure of F65A/Y131C Carbonic Anhydrase V, Covalently Modified with 4-Chloromethylimidazole (pdb code 1keq). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of F65A/Y131C Carbonic Anhydrase V, Covalently Modified with 4-Chloromethylimidazole, PDB code: 1keq:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of F65A/Y131C Carbonic Anhydrase V, Covalently Modified with 4-Chloromethylimidazole


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of F65A/Y131C Carbonic Anhydrase V, Covalently Modified with 4-Chloromethylimidazole within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn280 b:10.9 occ:1.00 O A:HOH871 1.9 13.4 1.0 NE2 A:HIS94 2.0 9.0 1.0 ND1 A:HIS119 2.0 5.6 1.0 NE2 A:HIS96 2.2 8.8 1.0 O A:ACY299 2.4 19.5 1.0 CE1 A:HIS119 2.9 8.5 1.0 CD2 A:HIS94 2.9 8.7 1.0 CE1 A:HIS94 3.0 8.8 1.0 CD2 A:HIS96 3.1 9.9 1.0 CG A:HIS119 3.1 6.8 1.0 CE1 A:HIS96 3.2 8.8 1.0 C A:ACY299 3.3 21.2 1.0 OXT A:ACY299 3.5 21.0 1.0 CB A:HIS119 3.5 6.8 1.0 O A:HOH707 3.7 29.6 1.0 OG1 A:THR199 3.8 13.0 1.0 OE1 A:GLU106 4.0 10.9 1.0 NE2 A:HIS119 4.1 7.4 1.0 CG A:HIS94 4.1 10.4 1.0 ND1 A:HIS94 4.1 9.5 1.0 CD2 A:HIS119 4.2 7.5 1.0 CG A:HIS96 4.3 8.9 1.0 ND1 A:HIS96 4.3 10.5 1.0 CH3 A:ACY299 4.7 21.6 1.0 CD A:GLU106 4.9 9.8 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of F65A/Y131C Carbonic Anhydrase V, Covalently Modified with 4-Chloromethylimidazole


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of F65A/Y131C Carbonic Anhydrase V, Covalently Modified with 4-Chloromethylimidazole within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn281 b:11.0 occ:1.00 O B:HOH872 1.9 19.8 1.0 NE2 B:HIS94 2.0 11.2 1.0 ND1 B:HIS119 2.0 5.7 1.0 NE2 B:HIS96 2.1 14.0 1.0 O B:ACY300 2.4 26.4 1.0 CE1 B:HIS119 2.9 9.1 1.0 CD2 B:HIS94 2.9 8.9 1.0 CE1 B:HIS94 3.0 11.5 1.0 CD2 B:HIS96 3.1 10.8 1.0 CE1 B:HIS96 3.1 10.5 1.0 CG B:HIS119 3.1 6.6 1.0 C B:ACY300 3.3 28.1 1.0 CB B:HIS119 3.6 7.3 1.0 OXT B:ACY300 3.7 27.5 1.0 OG1 B:THR199 3.7 12.4 1.0 OE1 B:GLU106 4.0 11.5 1.0 ND1 B:HIS94 4.0 11.3 1.0 NE2 B:HIS119 4.0 6.7 1.0 CG B:HIS94 4.1 10.4 1.0 CD2 B:HIS119 4.2 7.9 1.0 ND1 B:HIS96 4.2 12.3 1.0 CG B:HIS96 4.2 10.9 1.0 CH3 B:ACY300 4.6 28.8 1.0 CD B:GLU106 4.8 11.0 1.0

K.M.Jude, S.K.Wright, C.Tu, D.N.Silverman, R.E.Viola, D.W.Christianson. Crystal Structure of F65A/Y131C-Methylimidazole Carbonic Anhydrase V Reveals Architectural Features of An Engineered Proton Shuttle. Biochemistry V. 41 2485 2002.
ISSN: ISSN 0006-2960
PubMed: 11851394
DOI: 10.1021/BI015808Q